(Q110184856)

English

coreopsin

group of stereoisomers with the chemical formula C₂₁H₂₂O₁₀

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Statements

group of stereoisomers

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chemical compound

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434.1212969039999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₂O₁₀

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canonical SMILES

O=C(C=CC1=CC=C(O)C(O)=C1)C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C2O

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isomeric SMILES

O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C21H22O10/c22-9-17-18(27)19(28)20(29)21(31-17)30-11-3-4-12(15(25)8-11)13(23)5-1-10-2-6-14(24)16(26)7-10/h1-8,17-22,24-29H,9H2/b5-1+

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QMVODIKHHIRSGI-ORCRQEGFSA-N

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1 reference

matched by identifier from

QMVODIKHHIRSGI-ORCRQEGFSA-N

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

15 January 2022

QMVODIKHHIRSGI-ORCRQEGFSA-N

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